Spektraris NMR
20-epi-Isoiguesterinol
Common Name: 20-epi-Isoiguesterinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O3/c1-17-19-6-7-22-26(3,20(19)15-21(30)24(17)31)11-13-28(5)23-14-18(16-29)8-9-25(23,2)10-12-27(22,28)4/h6-7,15,18,23,29,31H,8-14,16H2,1-5H3/t18-,23+,25+,26-,27+,28-/m0/s1
InChIKey: InChIKey=RRKSDDREVOXSJD-TXARQUJHSA-N
Formula: C28H38O3
Molecular Weight: 422.600569
Exact Mass: 422.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Thiem, D.A., Sneden, A.T., Khan, S.I., Tekwani, B.L. J Nat Prod (2005) 68, 251-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 119.5 |
| 2 (C) | 178.1 |
| 3 (C) | 145.9 |
| 4 (C) | 118 |
| 5 (C) | 127.3 |
| 6 (CH) | 134 |
| 7 (CH) | 118 |
| 8 (C) | 170.1 |
| 9 (C) | 43 |
| 10 (C) | 164.8 |
| 11 (CH2) | 33 |
| 12 (CH2) | 30 |
| 13 (C) | 40.7 |
| 14 (C) | 45 |
| 15 (CH2) | 28.6 |
| 16 (CH2) | 36.5 |
| 17 (C) | 31.6 |
| 18 (CH) | 43.2 |
| 19 (CH2) | 24.8 |
| 20 (CH) | 35.7 |
| 21 (CH2) | 24.7 |
| 22 (CH2) | 36.2 |
| 23 (CH3) | 10.4 |
| 25 (CH3) | 38.9 |
| 26 (CH3) | 21.6 |
| 27 (CH3) | 21.4 |
| 28 (CH3) | 31.4 |
| 30 (CH2) | 69.6 |
